
<!DOCTYPE html>

<html xmlns="http://www.w3.org/1999/xhtml">
  <head>
    <meta charset="utf-8" />
    <title>ElasticConstants &#8212; atomman 1.4.0 documentation</title>
    <link rel="stylesheet" href="_static/basic.css" type="text/css" />
    <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
    <script type="text/javascript" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
    <script type="text/javascript" src="_static/jquery.js"></script>
    <script type="text/javascript" src="_static/underscore.js"></script>
    <script type="text/javascript" src="_static/doctools.js"></script>
    <script type="text/javascript" src="_static/language_data.js"></script>
    <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" type="text/javascript" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
    <script async="async" type="text/javascript" src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/latest.js?config=TeX-AMS-MML_HTMLorMML"></script>
    <script type="text/x-mathjax-config">MathJax.Hub.Config({"tex2jax": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true, "ignoreClass": "document", "processClass": "math|output_area"}})</script>
    <link rel="index" title="Index" href="genindex.html" />
    <link rel="search" title="Search" href="search.html" />
    <link rel="next" title="NeighborList" href="atomman.NeighborList.html" />
    <link rel="prev" title="System" href="atomman.System.html" /> 
  </head><body>
    <div class="related" role="navigation" aria-label="related navigation">
      <h3>Navigation</h3>
      <ul>
        <li class="right" style="margin-right: 10px">
          <a href="genindex.html" title="General Index"
             accesskey="I">index</a></li>
        <li class="right" >
          <a href="py-modindex.html" title="Python Module Index"
             >modules</a> |</li>
        <li class="right" >
          <a href="atomman.NeighborList.html" title="NeighborList"
             accesskey="N">next</a> |</li>
        <li class="right" >
          <a href="atomman.System.html" title="System"
             accesskey="P">previous</a> |</li>
        <li class="nav-item nav-item-0"><a href="index.html">atomman 1.4.0 documentation</a> &#187;</li>
          <li class="nav-item nav-item-1"><a href="atomman.html" accesskey="U">atomman package</a> &#187;</li> 
      </ul>
    </div>  

    <div class="document">
      <div class="documentwrapper">
        <div class="bodywrapper">
          <div class="body" role="main">
            
  <div class="section" id="elasticconstants">
<h1>ElasticConstants<a class="headerlink" href="#elasticconstants" title="Permalink to this headline">¶</a></h1>
<dl class="class">
<dt id="atomman.ElasticConstants">
<em class="property">class </em><code class="sig-prename descclassname">atomman.</code><code class="sig-name descname">ElasticConstants</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants" title="Permalink to this definition">¶</a></dt>
<dd><p>Bases: <a class="reference external" href="https://docs.python.org/3/library/functions.html#object" title="(in Python v3.9)"><code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></a></p>
<p>Class for storing and converting elastic constant values</p>
<dl class="method">
<dt id="atomman.ElasticConstants.Cij">
<em class="property">property </em><code class="sig-name descname">Cij</code><a class="headerlink" href="#atomman.ElasticConstants.Cij" title="Permalink to this definition">¶</a></dt>
<dd><p>The stiffness constants in Voigt 6x6 format</p>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.Cij9">
<em class="property">property </em><code class="sig-name descname">Cij9</code><a class="headerlink" href="#atomman.ElasticConstants.Cij9" title="Permalink to this definition">¶</a></dt>
<dd><p>The stiffness constants in 9x9 format</p>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.Cijkl">
<em class="property">property </em><code class="sig-name descname">Cijkl</code><a class="headerlink" href="#atomman.ElasticConstants.Cijkl" title="Permalink to this definition">¶</a></dt>
<dd><p>The stiffness constants in 3x3x3x3 format</p>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.Sij">
<em class="property">property </em><code class="sig-name descname">Sij</code><a class="headerlink" href="#atomman.ElasticConstants.Sij" title="Permalink to this definition">¶</a></dt>
<dd><p>The compliance constants in Voigt 6x6 format</p>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.Sijkl">
<em class="property">property </em><code class="sig-name descname">Sijkl</code><a class="headerlink" href="#atomman.ElasticConstants.Sijkl" title="Permalink to this definition">¶</a></dt>
<dd><p>The compliance constants in 3x3x3x3 format</p>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.bulk">
<code class="sig-name descname">bulk</code><span class="sig-paren">(</span><em class="sig-param">style='Hill'</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.bulk" title="Permalink to this definition">¶</a></dt>
<dd><p>Returns a bulk modulus estimate.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><p><strong>style</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a>) – Indicates which style of estimate to use.  Default value is ‘Hill’.
- ‘Hill’ – Hill estimate (average of Voigt and Reuss).
- ‘Voigt’ – Voigt estimate. Uses Cij.
- ‘Reuss’ – Reuss estimate. Uses Sij.</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.cubic">
<code class="sig-name descname">cubic</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.cubic" title="Permalink to this definition">¶</a></dt>
<dd><p>Set values with three independent cubic moduli.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>C11</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C11 component of Cij.</p></li>
<li><p><strong>C12</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C12 component of Cij.</p></li>
<li><p><strong>C44</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C44 component of Cij.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.hexagonal">
<code class="sig-name descname">hexagonal</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.hexagonal" title="Permalink to this definition">¶</a></dt>
<dd><p>Set values with five independent hexagonal moduli.
(2 * C66 = C11 - C12)</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>C11</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C11 component of Cij.</p></li>
<li><p><strong>C12</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C12 component of Cij.</p></li>
<li><p><strong>C13</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C13 component of Cij.</p></li>
<li><p><strong>C33</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C33 component of Cij.</p></li>
<li><p><strong>C44</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C44 component of Cij.</p></li>
<li><p><strong>C66</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C66 component of Cij.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.is_normal">
<code class="sig-name descname">is_normal</code><span class="sig-paren">(</span><em class="sig-param">crystal_system</em>, <em class="sig-param">atol=0.0001</em>, <em class="sig-param">rtol=0.0001</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.is_normal" title="Permalink to this definition">¶</a></dt>
<dd><p>Checks if current elastic constants agree with values normalized to
a specified crystal family (within tolerances).</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>crystal_system</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a>) – Indicates the crystal system representation to use when building a
data model.</p></li>
<li><p><strong>atol</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – Absolute tolerance to use.  Default value is 1e-4.</p></li>
<li><p><strong>rtol</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – Relative tolerance to use.  Default value is 1e-4.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>True if all Cij match within the tolerances, false otherwise.</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#bool" title="(in Python v3.9)">bool</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.isotropic">
<code class="sig-name descname">isotropic</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.isotropic" title="Permalink to this definition">¶</a></dt>
<dd><p>Set values with two independent isotropic moduli.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>C11</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C11 component of Cij.</p></li>
<li><p><strong>C12</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C12 component of Cij.</p></li>
<li><p><strong>C44</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C44 component of Cij.</p></li>
<li><p><strong>M</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – P-wave modulus(Equivalent to C11).</p></li>
<li><p><strong>lambda</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – Lame’s first parameter (Equivalent to C12).</p></li>
<li><p><strong>mu</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – Shear modulus (Equivalent to C44).</p></li>
<li><p><strong>E</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – Young’s modulus</p></li>
<li><p><strong>nu</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – Poisson’s ratio</p></li>
<li><p><strong>K</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – Bulk modulus</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.model">
<code class="sig-name descname">model</code><span class="sig-paren">(</span><em class="sig-param">model=None</em>, <em class="sig-param">unit=None</em>, <em class="sig-param">crystal_system='triclinic'</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.model" title="Permalink to this definition">¶</a></dt>
<dd><p>Return or set DataModelDict representation of the elastic constants.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>model</strong> (<em>DataModelDict</em><em>, </em><em>string</em><em>, or </em><em>file-like object</em><em>, </em><em>optional</em>) – Data model containing exactly one ‘elastic-constants’ branch to
read.</p></li>
<li><p><strong>unit</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – Units or pressure to save values in when building a data model.
Default value is None (no conversion).</p></li>
<li><p><strong>crystal_system</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – Indicates the crystal system representation to normalize by.
Default value is ‘triclinic’, i.e. no normalization.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>If model is not given as a parameter.</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p>DataModelDict</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.monoclinic">
<code class="sig-name descname">monoclinic</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.monoclinic" title="Permalink to this definition">¶</a></dt>
<dd><p>Set values with thirteen independent monoclinic moduli.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>C11</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C11 component of Cij.</p></li>
<li><p><strong>C12</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C12 component of Cij.</p></li>
<li><p><strong>C13</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C13 component of Cij.</p></li>
<li><p><strong>C15</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C15 component of Cij.</p></li>
<li><p><strong>C22</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C22 component of Cij.</p></li>
<li><p><strong>C23</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C23 component of Cij.</p></li>
<li><p><strong>C25</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C25 component of Cij.</p></li>
<li><p><strong>C33</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C33 component of Cij.</p></li>
<li><p><strong>C35</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C35 component of Cij.</p></li>
<li><p><strong>C44</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C44 component of Cij.</p></li>
<li><p><strong>C46</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C46 component of Cij.</p></li>
<li><p><strong>C55</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C55 component of Cij.</p></li>
<li><p><strong>C66</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C66 component of Cij.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.normalized_as">
<code class="sig-name descname">normalized_as</code><span class="sig-paren">(</span><em class="sig-param">crystal_system</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.normalized_as" title="Permalink to this definition">¶</a></dt>
<dd><p>Returns a new ElasticConstants object where values of the current are
averaged or zeroed out according to a standard crystal system setting.
NOTE: no validation checks are made to evaluate whether such
normalizations should be done! That is left up to you (compare values
before and after normalization).</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><p><strong>crystal_system</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a>) – Indicates the crystal system representation to use when building a
data model.</p>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>The elastic constants normalized according to the crystal system
symmetries.</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p><a class="reference internal" href="#atomman.ElasticConstants" title="atomman.ElasticConstants">atomman.ElasticConstants</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.orthorhombic">
<code class="sig-name descname">orthorhombic</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.orthorhombic" title="Permalink to this definition">¶</a></dt>
<dd><p>Set values with nine independent orthorhombic moduli.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>C11</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C11 component of Cij.</p></li>
<li><p><strong>C12</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C12 component of Cij.</p></li>
<li><p><strong>C13</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C13 component of Cij.</p></li>
<li><p><strong>C22</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C22 component of Cij.</p></li>
<li><p><strong>C23</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C23 component of Cij.</p></li>
<li><p><strong>C33</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C33 component of Cij.</p></li>
<li><p><strong>C44</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C44 component of Cij.</p></li>
<li><p><strong>C55</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C55 component of Cij.</p></li>
<li><p><strong>C66</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C66 component of Cij.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.rhombohedral">
<code class="sig-name descname">rhombohedral</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.rhombohedral" title="Permalink to this definition">¶</a></dt>
<dd><p>Set values with six or seven independent rhombohedral moduli.
(2 * C66 = C11 - C12)</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>C11</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C11 component of Cij.</p></li>
<li><p><strong>C12</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C12 component of Cij.</p></li>
<li><p><strong>C13</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C13 component of Cij.</p></li>
<li><p><strong>C14</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C33 component of Cij.</p></li>
<li><p><strong>C15</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C44 component of Cij.</p></li>
<li><p><strong>C33</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C66 component of Cij.</p></li>
<li><p><strong>C44</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C66 component of Cij.</p></li>
<li><p><strong>C66</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C66 component of Cij.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.shear">
<code class="sig-name descname">shear</code><span class="sig-paren">(</span><em class="sig-param">style='Hill'</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.shear" title="Permalink to this definition">¶</a></dt>
<dd><p>Returns a shear modulus estimate.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><p><strong>style</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a>) – Indicates which style of estimate to use.  Default value is ‘Hill’.
- ‘Hill’ – Hill estimate (average of Voigt and Reuss).
- ‘Voigt’ – Voigt estimate. Uses Cij.
- ‘Reuss’ – Reuss estimate. Uses Sij.</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.tetragonal">
<code class="sig-name descname">tetragonal</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.tetragonal" title="Permalink to this definition">¶</a></dt>
<dd><p>Set values with six or seven independent tetragonal moduli.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>C11</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C11 component of Cij.</p></li>
<li><p><strong>C12</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C12 component of Cij.</p></li>
<li><p><strong>C13</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C13 component of Cij.</p></li>
<li><p><strong>C16</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – C16 component of Cij.</p></li>
<li><p><strong>C33</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C33 component of Cij.</p></li>
<li><p><strong>C44</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C44 component of Cij.</p></li>
<li><p><strong>C66</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C66 component of Cij.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.transform">
<code class="sig-name descname">transform</code><span class="sig-paren">(</span><em class="sig-param">axes</em>, <em class="sig-param">tol=1e-08</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.transform" title="Permalink to this definition">¶</a></dt>
<dd><p>Transforms the elastic constant matrix based on the supplied axes.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>axes</strong> (<em>numpy.ndarray</em>) – (3, 3) array giving three right-handed orthogonal vectors to use
for transforming.</p></li>
<li><p><strong>tol</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – Relative tolerance to use in identifying near-zero terms.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>A new ElasticConstants object that has been transformed.</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p><a class="reference internal" href="#atomman.ElasticConstants" title="atomman.ElasticConstants">ElasticConstants</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.ElasticConstants.triclinic">
<code class="sig-name descname">triclinic</code><span class="sig-paren">(</span><em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.ElasticConstants.triclinic" title="Permalink to this definition">¶</a></dt>
<dd><p>Set values with twenty one independent triclinic moduli</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>C11</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C11 component of Cij.</p></li>
<li><p><strong>C12</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C12 component of Cij.</p></li>
<li><p><strong>C13</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C13 component of Cij.</p></li>
<li><p><strong>C14</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C14 component of Cij.</p></li>
<li><p><strong>C15</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C15 component of Cij.</p></li>
<li><p><strong>C16</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C16 component of Cij.</p></li>
<li><p><strong>C22</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C22 component of Cij.</p></li>
<li><p><strong>C23</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C23 component of Cij.</p></li>
<li><p><strong>C24</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C24 component of Cij.</p></li>
<li><p><strong>C25</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C25 component of Cij.</p></li>
<li><p><strong>C26</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C26 component of Cij.</p></li>
<li><p><strong>C33</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C33 component of Cij.</p></li>
<li><p><strong>C34</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C34 component of Cij.</p></li>
<li><p><strong>C35</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C35 component of Cij.</p></li>
<li><p><strong>C36</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C36 component of Cij.</p></li>
<li><p><strong>C44</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C44 component of Cij.</p></li>
<li><p><strong>C45</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C45 component of Cij.</p></li>
<li><p><strong>C46</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C46 component of Cij.</p></li>
<li><p><strong>C55</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C55 component of Cij.</p></li>
<li><p><strong>C56</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C56 component of Cij.</p></li>
<li><p><strong>C66</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a>) – C66 component of Cij.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

</dd></dl>

</div>


          </div>
        </div>
      </div>
      <div class="sphinxsidebar" role="navigation" aria-label="main navigation">
        <div class="sphinxsidebarwrapper">
  <h4>Previous topic</h4>
  <p class="topless"><a href="atomman.System.html"
                        title="previous chapter">System</a></p>
  <h4>Next topic</h4>
  <p class="topless"><a href="atomman.NeighborList.html"
                        title="next chapter">NeighborList</a></p>
        </div>
      </div>
      <div class="clearer"></div>
    </div>
    <div class="related" role="navigation" aria-label="related navigation">
      <h3>Navigation</h3>
      <ul>
        <li class="right" style="margin-right: 10px">
          <a href="genindex.html" title="General Index"
             >index</a></li>
        <li class="right" >
          <a href="py-modindex.html" title="Python Module Index"
             >modules</a> |</li>
        <li class="right" >
          <a href="atomman.NeighborList.html" title="NeighborList"
             >next</a> |</li>
        <li class="right" >
          <a href="atomman.System.html" title="System"
             >previous</a> |</li>
        <li class="nav-item nav-item-0"><a href="index.html">atomman 1.4.0 documentation</a> &#187;</li>
          <li class="nav-item nav-item-1"><a href="atomman.html" >atomman package</a> &#187;</li> 
      </ul>
    </div>
    <div class="footer" role="contentinfo">
      Created using <a href="http://sphinx-doc.org/">Sphinx</a> 2.2.0.
    </div>
  </body>
</html>